N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide

C18H21N3O2S — CID 91946265

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
SMILESCCc1nc(CNC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)cs1
InChIInChI=1S/C18H21N3O2S/c1-4-16-20-12(10-24-16)9-19-17(23)11-5-6-14-13(7-11)18(2,3)8-15(22)21-14/h5-7,10H,4,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyIEBRSBDFIPWPTA-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.26
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide (PubChem CID 91946265) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
PubChem CID91946265
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
SMILESCCc1nc(CNC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)cs1
InChIInChI=1S/C18H21N3O2S/c1-4-16-20-12(10-24-16)9-19-17(23)11-5-6-14-13(7-11)18(2,3)8-15(22)21-14/h5-7,10H,4,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyIEBRSBDFIPWPTA-UHFFFAOYSA-N
XLogP3.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946269
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91954522
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
CID 119125481
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
CID 97059749
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
CID 75361159
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 95230442
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 131926202
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712117
2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712365
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 166333056
3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119125701

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide (CID 91946265) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide is CCc1nc(CNC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide?
The InChIKey is IEBRSBDFIPWPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-16-20-12(10-24-16)9-19-17(23)11-5-6-14-13(7-11)18(2,3)8-15(22)21-14/h5-7,10H,4,8-9H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide is sourced from PubChem (CID 91946265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).